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6U8O
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BU of 6u8o by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-09-05
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6UJ4
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BU of 6uj4 by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor: 5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
Authors:Zhao, B.
Deposit date:2019-10-02
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UJL
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BU of 6ujl by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Descriptor: 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5
Authors:Phan, J.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UJJ
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BU of 6ujj by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Descriptor: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5
Authors:Phan, J.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.731 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6BEV
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BU of 6bev by Molmil
Human Single Domain Sulfurtranferase TSTD1
Descriptor: Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 1
Authors:Motl, N, Akey, D.L, Smith, J.L, Banerjee, R.
Deposit date:2017-10-25
Release date:2018-01-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.043 Å)
Cite:Thiosulfate sulfurtransferase-like domain-containing 1 protein interacts with thioredoxin.
J. Biol. Chem., 293, 2018
6OSJ
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BU of 6osj by Molmil
Cryo-EM structure of the N-terminally acetylated full length alpha-synuclein fibrils (Ac1-140)
Descriptor: Alpha-synuclein
Authors:Xiaodan, N, Ryan, P.M, Jiansen, J, Jennifer, C.L.
Deposit date:2019-05-01
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural Insights into alpha-Synuclein Fibril Polymorphism: Effects of Parkinson's Disease-Related C-Terminal Truncations.
J.Mol.Biol., 431, 2019
8GI6
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BU of 8gi6 by Molmil
Crystal structure of RhoA mutant L69R complexed with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
Authors:Chen, X, Qian, X, Chandravanshi, M, Lowy, D.R, Walters, K.J.
Deposit date:2023-03-13
Release date:2024-03-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ras-like GTPases mutant structures
To be published
8GI3
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BU of 8gi3 by Molmil
Crystal structure of RhoA mutant L69P complexed with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
Authors:Chen, X, Qian, X, Chandravanshi, M, Lowy, D.R, Walters, K.J.
Deposit date:2023-03-13
Release date:2024-03-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Ras-like GTPases mutants structure
To be published
6OSL
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BU of 6osl by Molmil
Cryo-EM structure of the N-terminally acetylated C-terminal Alpha-synuclein truncation Ac1-122
Descriptor: Alpha-synuclein
Authors:Ni, X, McGlinchey, R.P, Jiang, J, Lee, J.C.
Deposit date:2019-05-01
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural Insights into alpha-Synuclein Fibril Polymorphism: Effects of Parkinson's Disease-Related C-Terminal Truncations.
J.Mol.Biol., 431, 2019
8F1G
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BU of 8f1g by Molmil
Crystal structure of human WDR5 in complex with compound WM662
Descriptor: (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid, GLYCEROL, SULFATE ION, ...
Authors:Liu, H.
Deposit date:2022-11-05
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Discovery of Potent Small-Molecule Inhibitors of WDR5-MYC Interaction.
Acs Chem.Biol., 18, 2023
2GRO
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BU of 2gro by Molmil
Crystal Structure of human RanGAP1-Ubc9-N85Q
Descriptor: Ran GTPase-activating protein 1, Ubiquitin-conjugating enzyme E2 I
Authors:Yunus, A.A, Lima, C.D.
Deposit date:2006-04-24
Release date:2006-05-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Lysine activation and functional analysis of E2-mediated conjugation in the SUMO pathway.
Nat.Struct.Mol.Biol., 13, 2006
2GRN
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BU of 2grn by Molmil
Crystal Structure of human RanGAP1-Ubc9
Descriptor: Ran GTPase-activating protein 1, Ubiquitin-conjugating enzyme E2 I
Authors:Yunus, A.A, Lima, C.D.
Deposit date:2006-04-24
Release date:2006-05-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Lysine activation and functional analysis of E2-mediated conjugation in the SUMO pathway.
Nat.Struct.Mol.Biol., 13, 2006
7N1R
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BU of 7n1r by Molmil
A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP
Descriptor: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP, ...
Authors:Yang, J, Musayev, F, Liu, Q.
Deposit date:2021-05-28
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A novel and unique ATP hydrolysis to AMP by a human Hsp70 Binding immunoglobin protein (BiP).
Protein Sci., 31, 2022
4LL1
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BU of 4ll1 by Molmil
The structure of the TRX and TXNIP complex
Descriptor: Thioredoxin, Thioredoxin-interacting protein
Authors:Hwang, J, Kim, M.H.
Deposit date:2013-07-09
Release date:2014-02-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structural basis for the negative regulation of thioredoxin by thioredoxin-interacting protein
Nat Commun, 5, 2014
6PES
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BU of 6pes by Molmil
Cryo-EM structure of alpha-synuclein H50Q Wide Fibril
Descriptor: Alpha-synuclein
Authors:Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S.
Deposit date:2019-06-20
Release date:2019-11-27
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs.
Nat.Struct.Mol.Biol., 26, 2019
2GRQ
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BU of 2grq by Molmil
Crystal Structure of human RanGAP1-Ubc9-D127A
Descriptor: Ran GTPase-activating protein 1, Ubiquitin-conjugating enzyme E2 I
Authors:Yunus, A.A, Lima, C.D.
Deposit date:2006-04-24
Release date:2006-05-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Lysine activation and functional analysis of E2-mediated conjugation in the SUMO pathway.
Nat.Struct.Mol.Biol., 13, 2006
4Q0X
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BU of 4q0x by Molmil
Crystal structure of non-neutralizing antibody in complex with Epitope II of HCV E2
Descriptor: Envelope glycoprotein E2, mAb 12 heavy chain, mAb 12 light chain
Authors:Deng, L, Zhang, P.
Deposit date:2014-04-02
Release date:2014-07-09
Last modified:2014-08-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discrete conformations of epitope II on the hepatitis C virus E2 protein for antibody-mediated neutralization and nonneutralization.
Proc.Natl.Acad.Sci.USA, 111, 2014
2GRR
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BU of 2grr by Molmil
Crystal Structure of human RanGAP1-Ubc9-D127S
Descriptor: Ran GTPase-activating protein 1, Ubiquitin-conjugating enzyme E2 I
Authors:Yunus, A.A, Lima, C.D.
Deposit date:2006-04-24
Release date:2006-05-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Lysine activation and functional analysis of E2-mediated conjugation in the SUMO pathway.
Nat.Struct.Mol.Biol., 13, 2006
2M4H
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BU of 2m4h by Molmil
Solution structure of the Core Domain (10-76) of the Feline Calicivirus VPg protein
Descriptor: Feline Calicivirus VPg protein
Authors:Kwok, R.N, Leen, E.N, Birtley, J.R, Prater, S.N, Simpson, P.J, Curry, S, Matthews, S, Marchant, J.
Deposit date:2013-02-05
Release date:2013-03-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of the Compact Helical Core Domains of Feline Calicivirus and Murine Norovirus VPg Proteins.
J.Virol., 87, 2013
1L8Y
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BU of 1l8y by Molmil
Solution structure of HMG box 5 in human upstream binding factor
Descriptor: upstream binding factor 1
Authors:Yang, W, Xu, Y, Wu, J, Zeng, W, Shi, Y.
Deposit date:2002-03-22
Release date:2002-06-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure and DNA binding property of the fifth HMG box domain in comparison with the first HMG box domain in human upstream binding factor
Biochemistry, 42, 2003
8F93
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BU of 8f93 by Molmil
WDR5 covalently modified at Y228 by (R)-2-SF
Descriptor: 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride, CHLORIDE ION, GLYCEROL, ...
Authors:Taunton, J, Craven, G.B, Chen, Y.
Deposit date:2022-11-23
Release date:2023-05-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes.
Nat.Chem., 15, 2023
1L8Z
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BU of 1l8z by Molmil
Solution structure of HMG box 5 in human upstream binding factor
Descriptor: upstream binding factor 1
Authors:Yang, W, Xu, Y, Wu, J, Zeng, W, Shi, Y.
Deposit date:2002-03-22
Release date:2002-06-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure and DNA binding property of the fifth HMG box domain in comparison with the first HMG box domain in human upstream binding factor
Biochemistry, 42, 2003
6UOZ
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BU of 6uoz by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor: 5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
Authors:Zhao, B.
Deposit date:2019-10-16
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.532 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
5Y81
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BU of 5y81 by Molmil
NuA4 TEEAA sub-complex
Descriptor: Actin, Actin-related protein 4, Chromatin modification-related protein EAF1, ...
Authors:Wang, X, Cai, G.
Deposit date:2017-08-18
Release date:2018-04-18
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Architecture of the Saccharomyces cerevisiae NuA4/TIP60 complex
Nat Commun, 9, 2018
5TUU
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BU of 5tuu by Molmil
Crystal structure of the E2F4-DP1 coiled coil and marked-box domains
Descriptor: GLYCEROL, Transcription factor DP1, Transcription factor E2F4
Authors:Liban, T.J, Rubin, S.M, Tripathi, S.M.
Deposit date:2016-11-07
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Conservation and divergence of C-terminal domain structure in the retinoblastoma protein family.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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数据于2024-07-31公开中

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